Formula |
C18H20N2O6 |
IUPAC Name |
(2s)-2-amino-3-[4-[5-[(2s)-2-amino-2-carboxy-ethyl]-2-hydroxy-phenoxy]phenyl]propanoic acid |
Molecular Mass |
360.361 g·mol−1 |
Heat of Formation |
-962.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.72 ± 1.08 D |
Volume |
409.63 Å 3 |
Surface Area |
331.72 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-3-[3-[4-[(2s)-2-amino-3-hydroxy-3-keto-propyl]phenoxy]-4-hydroxy-phenyl]propionic acid
- (2s)-2-amino-3-[3-[4-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]phenoxy]-4-hydroxy-phenyl]propanoic acid
- (2s)-2-amino-3-[3-[4-[(2s)-2-amino-3-hydroxy-3-oxopropyl]phenoxy]-4-hydroxyphenyl]propanoic acid
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InChIKey |
FWZXNPNHUWFOCM-KBPBESRZSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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